methyl 4-[(2-bromophenyl)methyl]-2-(phenylmethoxycarbonylamino)pent-4-enoate

Systemtic Name: methyl 4-[(2-bromophenyl)methyl]-2-(phenylmethoxycarbonylamino)pent-4-enoate Openeye Name: methyl 2-(benzyloxycarbonylamino)-4-[(2-bromophenyl)methyl]pent-4-enoate CAS Name: 4-[(2-bromophenyl)methyl]-2-(phenylmethoxycarbonylamino)-4-pentenoic acid methyl ester IUPAC Name: methyl 4-[(2-bromophenyl)methyl]-2-(phenylmethoxycarbonylamino)pent-4-enoate Traditional Name: 2-(benzyloxycarbonylamino)-4-(2-bromobenzyl)pent-4-enoic acid methyl ester Formula: C21H22BrNO4 MolecularWeight: 432.30768

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC(=C)CC1=CC=CC=C1Br)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

COC(=O)C(CC(=C)CC1=CC=CC=C1Br)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C21H22BrNO4/c1-15(12-17-10-6-7-11-18(17)22)13-19(20(24)26-2)23-21(25)27-14-16-8-4-3-5-9-16/h3-11,19H,1,12-14H2,2H3,(H,23,25)